(E)-stilbene;2H-triazole

C16H15N3 — CID 18620499

IUPAC(E)-stilbene;2H-triazole
SMILESC(=C/c1ccccc1)\c1ccccc1.c1cn[nH]n1
InChIInChI=1S/C14H12.C2H3N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-5-3-1/h1-12H;1-2H,(H,3,4,5)/b12-11+;
InChIKeyGKYQYVQDCHBZJM-CALJPSDSSA-N
MW249.32 g/mol
LogP3.66
Rot. Bonds2

About (E)-stilbene;2H-triazole

(E)-stilbene;2H-triazole (PubChem CID 18620499) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is (E)-stilbene;2H-triazole.

Molecular Properties

Compound Name(E)-stilbene;2H-triazole
PubChem CID18620499
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name(E)-stilbene;2H-triazole
SMILESC(=C/c1ccccc1)\c1ccccc1.c1cn[nH]n1
InChIInChI=1S/C14H12.C2H3N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-5-3-1/h1-12H;1-2H,(H,3,4,5)/b12-11+;
InChIKeyGKYQYVQDCHBZJM-CALJPSDSSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-stilbene;2H-triazole?
The IUPAC name of (E)-stilbene;2H-triazole (CID 18620499) is (E)-stilbene;2H-triazole.
What is the SMILES notation for (E)-stilbene;2H-triazole?
The canonical SMILES for (E)-stilbene;2H-triazole is C(=C/c1ccccc1)\c1ccccc1.c1cn[nH]n1.
What is the InChIKey of (E)-stilbene;2H-triazole?
The InChIKey is GKYQYVQDCHBZJM-CALJPSDSSA-N. The full InChI is InChI=1S/C14H12.C2H3N3/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-5-3-1/h1-12H;1-2H,(H,3,4,5)/b12-11+;.
What are the key properties of (E)-stilbene;2H-triazole?
(E)-stilbene;2H-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-stilbene;2H-triazole is sourced from PubChem (CID 18620499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).